SCHEMBL7222833

SCHEMBL7222833

Cc1cc(NS(=O)(=O)Cc2ccccc2)cc(C)c1S(=O)(=O)C[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
ADRB2 P07550 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 3/20 0.43
PGR P06401 1/20 0.43
AR P10275 1/20 0.42
RORC P51449 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.41
PTK2B Q14289 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7223203 0.93 HPGD (0.39) HPGDKMT2AALDH1A1MEN1LMNA
SCHEMBL7231130 0.87 KMT2A (0.40) HPGDKMT2AALDH1A1LMNAMAPT
SCHEMBL7229260 0.86 ALDH1A1 (0.38) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL7224270 0.83 NR1I2 (0.46) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL7221678 0.82 CYTH2 (0.56) HPGDKMT2AALDH1A1MEN1MAPT
SCHEMBL7229122 0.81 CYP3A4 (0.42) KMT2AALDH1A1MEN1MAPTRORC
SCHEMBL7230113 0.79 CYTH2 (0.49) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL7229882 0.79 GAA (0.50) KMT2AALDH1A1MEN1LMNAMAPT
SCHEMBL7221394 0.78 CYP2C9 (0.37) HPGDKMT2AALDH1A1MEN1LMNA
SCHEMBL8467038 0.78 ALDH1A1 (0.52) HPGDKMT2AALDH1A1MEN1RORC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030203966-A1 Nitromethylthiobenzene derivatives as aldose reductase inhihibitors COLLONGES FRANCOIS (FR) 2003-10-30 US claimed
US-6509499-B1 Nervous system disorders, vision defects, diabetic retinopathy, neuropathic pain and kidney disorder treatment MERCK PATENTGESELLSCHAFT MIT (DE) 2003-01-21 US claimed
EP-0946503-B1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GMBH (DE) 2002-03-27 EP claimed
EP-0946503-A1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GmbH (DE) 1999-10-06 EP claimed
WO-1998028265-A1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GMBH (DE) 1998-07-02 WO claimed
US-20030203966-A1 Nitromethylthiobenzene derivatives as aldose reductase inhihibitors COLLONGES FRANCOIS (FR) 2003-10-30 US disclosed
US-6509499-B1 Nervous system disorders, vision defects, diabetic retinopathy, neuropathic pain and kidney disorder treatment MERCK PATENTGESELLSCHAFT MIT (DE) 2003-01-21 US disclosed
EP-0946503-B1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GMBH (DE) 2002-03-27 EP disclosed
EP-0946503-A1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GmbH (DE) 1999-10-06 EP disclosed
WO-1998028265-A1 NITROMETHYLTHIOBENZENE DERIVATIVES AS INHIBITORS OF ALDOSE REDUCTASE MERCK PATENT GMBH (DE) 1998-07-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030203966-A1 Nitromethylthiobenzene derivatives as aldose reductase inhihibitors AKR1B1, ALDOA, AKR1C1 HPGD 238/4885KMT2A 4070/4885ALDH1A1 48/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.